quantum_package/plugins/Perturbation/perturbation.irp.f

BEGIN_SHELL [ /usr/bin/env python2 ]
from perturbation import perturbations
import os

filename = os.environ["QP_ROOT"]+"/src/Perturbation/perturbation.template.f"
file = open(filename,'r')
template = file.read()
file.close()

for p in perturbations:
  print template.replace("$PERT",p)

END_SHELL
Python2 2018-05-02 19:52:23 +02:00			`BEGIN_SHELL [ /usr/bin/env python2 ]`
Accelerated Davidson 2014-05-17 14:20:55 +02:00			`from perturbation import perturbations`
			`import os`

QPACKAGE_ROOT => QP_ROOT =D 2015-06-08 14:49:10 +02:00			`filename = os.environ["QP_ROOT"]+"/src/Perturbation/perturbation.template.f"`
Accelerated Davidson 2014-05-17 14:20:55 +02:00			`file = open(filename,'r')`
			`template = file.read()`
			`file.close()`

			`for p in perturbations:`
			`print template.replace("$PERT",p)`

			`END_SHELL`